CAS号:161814-49-9-安普那韦 - Amprenavir-科华智慧

1. 主信息

英文名:	Amprenavir
中文名:	安普那韦
CAS编号:	161814-49-9
化学分子式：	C₂₅H₃₅N₃O₆S
化学分子量：	505.6 g/mol
SMILES：	CC(C)CN(CC(C(CC1=CC=CC=C1)NC(=O)OC2CCOC2)O)S(=O)(=O)C3=CC=C(C=C3)N
来源：	合成化合物
结构类型：	-
其它名称或标识：	(3S-(3R(1R,2S*)))-(3-(((4-aminophenyl)sulfonyl)(2-methylpropyl)amino)-2-hydroxy-1-(phenylmethyl)propyl) tetrahydro-3-furanyl carbamate Agenerase amprenavir tetrahydro-3-furyl N-(3-(4-amino-N-isobutylbenzenesulfonamido)-1-benzyl-2-hydroxypropyl)carbamate Vertex VX478

2. 供应商与价格

供应商	包装规格	含量	价格(元)	环境要求	货期	说明
科华智慧	5mg	>98%,HIV蛋白酶抑制剂	240	-20℃	现货	-
科华智慧	10mg	>98%,HIV蛋白酶抑制剂	384	-20℃	现货	-
科华智慧	100mg	>98%,HIV蛋白酶抑制剂	1520	-20℃	现货	-

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3. 结构

3.1 二维结构

3.2 三维结构

-1 -2 -3 70 72 0 1 0 0 0 0 0999 V2000 3.5556 -0.3648 1.3922 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.1969 1.7073 2.2570 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4819 1.6248 -0.6994 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7787 1.4305 -2.6722 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7675 -1.4993 1.8372 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6849 0.0765 2.1898 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7716 0.8047 1.4263 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5094 0.9726 1.0822 N 0 0 2 0 0 0 0 0 0 0 0 0 -1.8097 0.4646 0.2372 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6385 -1.6799 -4.0471 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1787 0.4516 1.6914 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.0920 -0.3003 1.2373 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1603 0.6864 0.5402 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1078 2.1911 0.4770 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8089 -1.7075 0.6767 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4026 3.4674 0.9518 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7895 2.1854 -0.6549 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.0180 -2.6088 0.6461 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9278 4.7132 0.2369 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4809 3.6442 2.4689 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8846 3.3503 -1.6095 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1725 -0.7539 -0.2216 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7702 1.1980 -1.2530 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0851 0.9490 0.4201 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0816 2.6545 -2.9415 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3146 -3.4155 1.7447 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8399 -2.6353 -0.4807 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3381 -0.1460 -0.6878 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4934 -1.6692 -1.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4329 -4.2488 1.7167 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9583 -3.4686 -0.5086 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8249 -0.4535 -1.9582 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9803 -1.9767 -2.2966 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1460 -1.3688 -2.7626 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2547 -4.2753 0.5901 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6504 -0.1216 2.4964 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7401 -0.3897 2.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8085 1.4978 -0.1052 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2339 -0.1876 -0.1101 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0642 2.1146 -0.6163 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1652 2.2622 0.7557 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3898 -1.6543 -0.3366 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0385 -2.1955 1.2884 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3381 3.4070 0.6989 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3558 0.6477 -0.6528 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0570 2.4878 0.3632 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7703 3.9529 -1.3771 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0045 3.9993 -1.6155 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8099 4.6163 -0.8475 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3810 5.6071 0.5552 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9905 4.8711 0.4498 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0723 2.7844 3.0062 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9184 4.5295 2.7845 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5194 3.7747 2.7925 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6700 2.2111 1.5729 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5106 0.1512 -1.0703 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7869 1.3837 -0.8913 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1216 2.3982 -3.4024 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6566 3.2584 -3.6491 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6836 -3.4018 2.6294 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6203 -2.0128 -1.3440 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8824 0.5708 -0.0798 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5841 -2.1553 -0.6841 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6642 -4.8763 2.5724 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5985 -3.4889 -1.3857 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7341 0.0272 -2.3104 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4422 -2.6915 -2.9139 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1257 -4.9237 0.5684 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1463 -2.3431 -4.6310 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4833 -1.2392 -4.3858 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 2 0 0 0 0 1 6 2 0 0 0 0 1 8 1 0 0 0 0 1 22 1 0 0 0 0 2 11 1 0 0 0 0 2 55 1 0 0 0 0 3 17 1 0 0 0 0 3 24 1 0 0 0 0 4 23 1 0 0 0 0 4 25 1 0 0 0 0 7 24 2 0 0 0 0 8 13 1 0 0 0 0 8 14 1 0 0 0 0 9 12 1 0 0 0 0 9 24 1 0 0 0 0 9 45 1 0 0 0 0 10 34 1 0 0 0 0 10 69 1 0 0 0 0 10 70 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 36 1 0 0 0 0 12 15 1 0 0 0 0 12 37 1 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 14 16 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 15 18 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 16 19 1 0 0 0 0 16 20 1 0 0 0 0 16 44 1 0 0 0 0 17 21 1 0 0 0 0 17 23 1 0 0 0 0 17 46 1 0 0 0 0 18 26 2 0 0 0 0 18 27 1 0 0 0 0 19 49 1 0 0 0 0 19 50 1 0 0 0 0 19 51 1 0 0 0 0 20 52 1 0 0 0 0 20 53 1 0 0 0 0 20 54 1 0 0 0 0 21 25 1 0 0 0 0 21 47 1 0 0 0 0 21 48 1 0 0 0 0 22 28 2 0 0 0 0 22 29 1 0 0 0 0 23 56 1 0 0 0 0 23 57 1 0 0 0 0 25 58 1 0 0 0 0 25 59 1 0 0 0 0 26 30 1 0 0 0 0 26 60 1 0 0 0 0 27 31 2 0 0 0 0 27 61 1 0 0 0 0 28 32 1 0 0 0 0 28 62 1 0 0 0 0 29 33 2 0 0 0 0 29 63 1 0 0 0 0 30 35 2 0 0 0 0 30 64 1 0 0 0 0 31 35 1 0 0 0 0 31 65 1 0 0 0 0 32 34 2 0 0 0 0 32 66 1 0 0 0 0 33 34 1 0 0 0 0 33 67 1 0 0 0 0 35 68 1 0 0 0 0

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4. 国际命名与标识

4.1 IUPAC Name

[(3S)-oxolan-3-yl] N-[(2S,3R)-4-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]carbamate

4.2 InChl

InChI=1S/C25H35N3O6S/c1-18(2)15-28(35(31,32)22-10-8-20(26)9-11-22)16-24(29)23(14-19-6-4-3-5-7-19)27-25(30)34-21-12-13-33-17-21/h3-11,18,21,23-24,29H,12-17,26H2,1-2H3,(H,27,30)/t21-,23-,24+/m0/s1

4.3 InChlKey

YMARZQAQMVYCKC-OEMFJLHTSA-N

4.4 Canonical SMILES

CC(C)CN(CC(C(CC1=CC=CC=C1)NC(=O)OC2CCOC2)O)S(=O)(=O)C3=CC=C(C=C3)N

4.5 lsomeric SMILES

CC(C)CN(C[C@H]([C@H](CC1=CC=CC=C1)NC(=O)O[C@H]2CCOC2)O)S(=O)(=O)C3=CC=C(C=C3)N

4.6 SDF文件

补充中

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5. 波谱数据

5.1 ¹³C核磁共振谱(¹³C NMR)

5.2 ¹H核磁共振谱(¹H NMR)

5.3 质谱(MS)

补充中

5.4 红外光谱(IR)

补充中

5.5 紫外/可见光谱(UV/Vis)

补充中

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6. 相关药材

中文名称

英文名称

拉丁文名称

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7. 相关靶点

基因靶点

靶点位置

参考文献

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8. 相关疾病

疾病名称

疾病类型